Methyl 1-Methylindazole-3-carboxylate - CAS 109216-60-6

Name: Methyl 1-Methylindazole-3-carboxylate
Brand: BOC Sciences
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Catalog:	BB002392
Product Name:	Methyl 1-Methylindazole-3-carboxylate
CAS:	109216-60-6
Synonyms:	1-methyl-3-indazolecarboxylic acid methyl ester; methyl 1-methylindazole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 1-methylindazole-3-carboxylate
Description:	Methyl 1-Methylindazole-3-carboxylate (CAS# 109216-60-6 ) is a useful research chemical.
Molecular Weight:	190.20
Molecular Formula:	C10H10N2O2
Canonical SMILES:	CN1C2=CC=CC=C2C(=N1)C(=O)OC
InChI:	InChI=1S/C10H10N2O2/c1-12-8-6-4-3-5-7(8)9(11-12)10(13)14-2/h3-6H,1-2H3
InChI Key:	MTCWFNXKOCOIJV-UHFFFAOYSA-N
Boiling Point:	313.1 °C at 760 mmHg
Density:	1.23 g/cm³
LogP:	1.35990

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]C10H9ClO2
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

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Publication Number	Title	Priority Date
WO-2020081381-A1	Novel arylalkyl pyrazole compounds as indoleamine 2,3-dioxygenase inhibitors	20181017
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Complexity:	232
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.074227566
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.074227566
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8